3,6,7-triethyl-1,2,3,4-tetrahydroisoquinoline

C15H23N — CID 134425720

IUPAC3,6,7-triethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCc1cc2c(cc1CC)CC(CC)NC2
InChIInChI=1S/C15H23N/c1-4-11-7-13-9-15(6-3)16-10-14(13)8-12(11)5-2/h7-8,15-16H,4-6,9-10H2,1-3H3
InChIKeyFKAVOFTTYOJGIE-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.24
Rot. Bonds3

About 3,6,7-triethyl-1,2,3,4-tetrahydroisoquinoline

3,6,7-triethyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 134425720) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3,6,7-triethyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3,6,7-triethyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID134425720
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3,6,7-triethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCc1cc2c(cc1CC)CC(CC)NC2
InChIInChI=1S/C15H23N/c1-4-11-7-13-9-15(6-3)16-10-14(13)8-12(11)5-2/h7-8,15-16H,4-6,9-10H2,1-3H3
InChIKeyFKAVOFTTYOJGIE-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6,7-triethyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3,6,7-triethyl-1,2,3,4-tetrahydroisoquinoline (CID 134425720) is 3,6,7-triethyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3,6,7-triethyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3,6,7-triethyl-1,2,3,4-tetrahydroisoquinoline is CCc1cc2c(cc1CC)CC(CC)NC2.
What is the InChIKey of 3,6,7-triethyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is FKAVOFTTYOJGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-11-7-13-9-15(6-3)16-10-14(13)8-12(11)5-2/h7-8,15-16H,4-6,9-10H2,1-3H3.
What are the key properties of 3,6,7-triethyl-1,2,3,4-tetrahydroisoquinoline?
3,6,7-triethyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 217.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7-triethyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 134425720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).